2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

C18H16FN3O3S — CID 27171771

IUPAC2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-24-15-5-3-2-4-14(15)20-17(23)10-16-21-18(25-22-16)11-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyGBGPXQZTEUHYHD-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.69
Rot. Bonds7

About 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide

2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 27171771) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID27171771
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(CSc2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O3S/c1-24-15-5-3-2-4-14(15)20-17(23)10-16-21-18(25-22-16)11-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyGBGPXQZTEUHYHD-UHFFFAOYSA-N
XLogP3.69
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 27171771) is 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc(CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is GBGPXQZTEUHYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-24-15-5-3-2-4-14(15)20-17(23)10-16-21-18(25-22-16)11-26-13-8-6-12(19)7-9-13/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 373.41 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 27171771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).